1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-fluorophenyl)methylsulfonyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxylic acid Traditional Name: 1-(4-fluorobenzyl)sulfonylnipecotic acid Formula: C13H16FNO4S MolecularWeight: 301.333843

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CC2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CC2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C13H16FNO4S/c14-12-5-3-10(4-6-12)9-20(18,19)15-7-1-2-11(8-15)13(16)17/h3-6,11H,1-2,7-9H2,(H,16,17)